2-[4-(5-phenyl-1,3-thiazol-2-yl)but-3-ynyl]isoindole-1,3-dione

Systemtic Name: 2-[4-(5-phenyl-1,3-thiazol-2-yl)but-3-ynyl]isoindole-1,3-dione Openeye Name: 2-[4-(5-phenylthiazol-2-yl)but-3-ynyl]isoindoline-1,3-dione CAS Name: 2-[4-(5-phenyl-2-thiazolyl)but-3-ynyl]isoindole-1,3-dione IUPAC Name: 2-[4-(5-phenyl-1,3-thiazol-2-yl)but-3-ynyl]isoindole-1,3-dione Traditional Name: 2-[4-(5-phenylthiazol-2-yl)but-3-ynyl]isoindoline-1,3-quinone Formula: C21H14N2O2S MolecularWeight: 358.41306

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CN=C(S2)C#CCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1=CC=C(C=C1)C2=CN=C(S2)C#CCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C21H14N2O2S/c24-20-16-10-4-5-11-17(16)21(25)23(20)13-7-6-12-19-22-14-18(26-19)15-8-2-1-3-9-15/h1-5,8-11,14H,7,13H2